3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide

C21H24F3N3O2 — CID 11596635

IUPAC3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cccnc1NCC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)13-18(28)27-17-7-4-12-25-19(17)26-14-15-8-10-20(29,11-9-15)16-5-2-1-3-6-16/h1-7,12,15,29H,8-11,13-14H2,(H,25,26)(H,27,28)
InChIKeyQWQGHUSOGFKBAL-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.46
Rot. Bonds6

About 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide

3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide (PubChem CID 11596635) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide
PubChem CID11596635
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cccnc1NCC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)13-18(28)27-17-7-4-12-25-19(17)26-14-15-8-10-20(29,11-9-15)16-5-2-1-3-6-16/h1-7,12,15,29H,8-11,13-14H2,(H,25,26)(H,27,28)
InChIKeyQWQGHUSOGFKBAL-UHFFFAOYSA-N
XLogP4.46
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide (CID 11596635) is 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide is O=C(CC(F)(F)F)Nc1cccnc1NCC1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide?
The InChIKey is QWQGHUSOGFKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)13-18(28)27-17-7-4-12-25-19(17)26-14-15-8-10-20(29,11-9-15)16-5-2-1-3-6-16/h1-7,12,15,29H,8-11,13-14H2,(H,25,26)(H,27,28).
What are the key properties of 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide?
3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-[(4-hydroxy-4-phenylcyclohexyl)methylamino]-3-pyridinyl]propanamide is sourced from PubChem (CID 11596635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).